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Calculation of the Binding Affinity of β-Secretase Inhibitors Using the Linear Interaction Energy Method

✍ Scribed by Tounge, Brett A.; Reynolds, Charles H.


Book ID
111867046
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
394 KB
Volume
46
Category
Article
ISSN
0022-2623

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## Abstract A systematic study of the linear interaction energy (LIE) method and the possible dependence of its parameterization on the force field and system (receptor binding site) is reported. We have calculated the binding free energy for nine different ligands in complex with P450cam using thr